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Compile Data Set for Download or QSAR

Found 217 hits with Last Name = 'gabelli' and Initial = 'sb'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50435227
PNG
(CHEMBL2392772)
Show SMILES Cc1nc(nc(NC2CCN(CC2)c2ncc(cc2Cl)C(F)(F)F)c1Cl)-c1ccccn1
Show InChI InChI=1S/C21H19Cl2F3N6/c1-12-17(23)19(31-18(29-12)16-4-2-3-7-27-16)30-14-5-8-32(9-6-14)20-15(22)10-13(11-28-20)21(24,25)26/h2-4,7,10-11,14H,5-6,8-9H2,1H3,(H,29,30,31)
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n/an/a 360n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50435224
PNG
(CHEMBL2392893)
Show SMILES Cc1nc(nc(NC[C@H](NC(=O)CCN2CCNCC2)c2ccccc2)c1Cl)-c1ccccn1 |r|
Show InChI InChI=1S/C25H30ClN7O/c1-18-23(26)25(32-24(30-18)20-9-5-6-11-28-20)29-17-21(19-7-3-2-4-8-19)31-22(34)10-14-33-15-12-27-13-16-33/h2-9,11,21,27H,10,12-17H2,1H3,(H,31,34)(H,29,30,32)/t21-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50435217
PNG
(CHEMBL2392900)
Show SMILES Cc1nc(nc(NC[C@H](NS(=O)(=O)CCN2CCN(CCO)CC2)c2ccccc2)c1Cl)-c1ccccn1 |r|
Show InChI InChI=1S/C26H34ClN7O3S/c1-20-24(27)26(31-25(30-20)22-9-5-6-10-28-22)29-19-23(21-7-3-2-4-8-21)32-38(36,37)18-16-34-13-11-33(12-14-34)15-17-35/h2-10,23,32,35H,11-19H2,1H3,(H,29,30,31)/t23-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50435219
PNG
(CHEMBL2392898)
Show SMILES Cc1nc(nc(NC[C@H](NCCCCN2CCN(CCO)CC2)c2ccccc2)c1Cl)-c1ccccn1 |r|
Show InChI InChI=1S/C28H38ClN7O/c1-22-26(29)28(34-27(33-22)24-11-5-6-12-30-24)32-21-25(23-9-3-2-4-10-23)31-13-7-8-14-35-15-17-36(18-16-35)19-20-37/h2-6,9-12,25,31,37H,7-8,13-21H2,1H3,(H,32,33,34)/t25-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50435226
PNG
(CHEMBL2392891)
Show SMILES Cc1nc(nc(NC[C@H](NC(=O)CCN2CCN(CCO)CC2)c2ccccc2)c1Cl)-c1ccccn1 |r|
Show InChI InChI=1S/C27H34ClN7O2/c1-20-25(28)27(33-26(31-20)22-9-5-6-11-29-22)30-19-23(21-7-3-2-4-8-21)32-24(37)10-12-34-13-15-35(16-14-34)17-18-36/h2-9,11,23,36H,10,12-19H2,1H3,(H,32,37)(H,30,31,33)/t23-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50435218
PNG
(CHEMBL2392899)
Show SMILES Cc1nc(nc(NC[C@H](NS(=O)(=O)CCN2CCNCC2)c2ccccc2)c1Cl)-c1ccccn1 |r|
Show InChI InChI=1S/C24H30ClN7O2S/c1-18-22(25)24(30-23(29-18)20-9-5-6-10-27-20)28-17-21(19-7-3-2-4-8-19)31-35(33,34)16-15-32-13-11-26-12-14-32/h2-10,21,26,31H,11-17H2,1H3,(H,28,29,30)/t21-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50433375
PNG
(CHEMBL472879 | GNF-Pf-359)
Show SMILES Cc1nc(nc(NCCc2ccccc2)c1Cl)-c1ccccn1
Show InChI InChI=1S/C18H17ClN4/c1-13-16(19)18(21-12-10-14-7-3-2-4-8-14)23-17(22-13)15-9-5-6-11-20-15/h2-9,11H,10,12H2,1H3,(H,21,22,23)
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n/an/a 860n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50435229
PNG
(CHEMBL2392771)
Show SMILES Cc1nc(nc(NCCNc2cccc(n2)C(F)(F)F)c1Cl)-c1ccccn1
Show InChI InChI=1S/C18H16ClF3N6/c1-11-15(19)17(28-16(26-11)12-5-2-3-8-23-12)25-10-9-24-14-7-4-6-13(27-14)18(20,21)22/h2-8H,9-10H2,1H3,(H,24,27)(H,25,26,28)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50435225
PNG
(CHEMBL2392892)
Show SMILES Cc1nc(nc(NC[C@H](NC(=O)CCCN2CCN(CCO)CC2)c2ccccc2)c1Cl)-c1ccccn1 |r|
Show InChI InChI=1S/C28H36ClN7O2/c1-21-26(29)28(34-27(32-21)23-10-5-6-12-30-23)31-20-24(22-8-3-2-4-9-22)33-25(38)11-7-13-35-14-16-36(17-15-35)18-19-37/h2-6,8-10,12,24,37H,7,11,13-20H2,1H3,(H,33,38)(H,31,32,34)/t24-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50435228
PNG
(CHEMBL460432)
Show SMILES Cc1nc(nc(N2CCN(CCO)CC2)c1Cl)-c1ccccn1
Show InChI InChI=1S/C16H20ClN5O/c1-12-14(17)16(22-8-6-21(7-9-22)10-11-23)20-15(19-12)13-4-2-3-5-18-13/h2-5,23H,6-11H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50435223
PNG
(CHEMBL2392894)
Show SMILES Cc1nc(nc(NC[C@H](NC(=O)CCCN2CCNCC2)c2ccccc2)c1Cl)-c1ccccn1 |r|
Show InChI InChI=1S/C26H32ClN7O/c1-19-24(27)26(33-25(31-19)21-10-5-6-12-29-21)30-18-22(20-8-3-2-4-9-20)32-23(35)11-7-15-34-16-13-28-14-17-34/h2-6,8-10,12,22,28H,7,11,13-18H2,1H3,(H,32,35)(H,30,31,33)/t22-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50435220
PNG
(CHEMBL2392897)
Show SMILES Cc1nc(nc(NC[C@H](NCCCCN2CCNCC2)c2ccccc2)c1Cl)-c1ccccn1 |r|
Show InChI InChI=1S/C26H34ClN7/c1-20-24(27)26(33-25(32-20)22-11-5-6-12-29-22)31-19-23(21-9-3-2-4-10-21)30-13-7-8-16-34-17-14-28-15-18-34/h2-6,9-12,23,28,30H,7-8,13-19H2,1H3,(H,31,32,33)/t23-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50435222
PNG
(CHEMBL2392895)
Show SMILES Cc1nc(nc(NC[C@H](NCCCN2CCNCC2)c2ccccc2)c1Cl)-c1ccccn1 |r|
Show InChI InChI=1S/C25H32ClN7/c1-19-23(26)25(32-24(31-19)21-10-5-6-11-28-21)30-18-22(20-8-3-2-4-9-20)29-12-7-15-33-16-13-27-14-17-33/h2-6,8-11,22,27,29H,7,12-18H2,1H3,(H,30,31,32)/t22-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50435231
PNG
(CHEMBL2392769)
Show SMILES CN(Cc1ccccc1)c1nc(nc(C)c1Cl)-c1ccccn1
Show InChI InChI=1S/C18H17ClN4/c1-13-16(19)18(23(2)12-14-8-4-3-5-9-14)22-17(21-13)15-10-6-7-11-20-15/h3-11H,12H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50435221
PNG
(CHEMBL2392896)
Show SMILES Cc1nc(nc(NC[C@H](NCCCN2CCN(CCO)CC2)c2ccccc2)c1Cl)-c1ccccn1 |r|
Show InChI InChI=1S/C27H36ClN7O/c1-21-25(28)27(33-26(32-21)23-10-5-6-11-29-23)31-20-24(22-8-3-2-4-9-22)30-12-7-13-34-14-16-35(17-15-34)18-19-36/h2-6,8-11,24,30,36H,7,12-20H2,1H3,(H,31,32,33)/t24-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50433377
PNG
(CHEMBL2375628)
Show SMILES Cc1nc(nc(NCCNc2ccc(cn2)C(F)(F)F)c1Cl)-c1ccccn1
Show InChI InChI=1S/C18H16ClF3N6/c1-11-15(19)17(28-16(27-11)13-4-2-3-7-23-13)25-9-8-24-14-6-5-12(10-26-14)18(20,21)22/h2-7,10H,8-9H2,1H3,(H,24,26)(H,25,27,28)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50435237
PNG
(CHEMBL2392764)
Show SMILES Cc1nc(nc(NCCc2ccccc2)c1F)-c1ccccn1
Show InChI InChI=1S/C18H17FN4/c1-13-16(19)18(21-12-10-14-7-3-2-4-8-14)23-17(22-13)15-9-5-6-11-20-15/h2-9,11H,10,12H2,1H3,(H,21,22,23)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50435230
PNG
(CHEMBL2392770)
Show SMILES CNc1nc(nc(C)c1Cl)-c1ccccn1
Show InChI InChI=1S/C11H11ClN4/c1-7-9(12)11(13-2)16-10(15-7)8-5-3-4-6-14-8/h3-6H,1-2H3,(H,13,15,16)
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n/an/a 8.90E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50433375
PNG
(CHEMBL472879 | GNF-Pf-359)
Show SMILES Cc1nc(nc(NCCc2ccccc2)c1Cl)-c1ccccn1
Show InChI InChI=1S/C18H17ClN4/c1-13-16(19)18(21-12-10-14-7-3-2-4-8-14)23-17(22-13)15-9-5-6-11-20-15/h2-9,11H,10,12H2,1H3,(H,21,22,23)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50435218
PNG
(CHEMBL2392899)
Show SMILES Cc1nc(nc(NC[C@H](NS(=O)(=O)CCN2CCNCC2)c2ccccc2)c1Cl)-c1ccccn1 |r|
Show InChI InChI=1S/C24H30ClN7O2S/c1-18-22(25)24(30-23(29-18)20-9-5-6-10-27-20)28-17-21(19-7-3-2-4-8-19)31-35(33,34)16-15-32-13-11-26-12-14-32/h2-10,21,26,31H,11-17H2,1H3,(H,28,29,30)/t21-/m0/s1
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n/an/a 9.40E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50435234
PNG
(CHEMBL2392766)
Show SMILES Cc1nc(nc(SCCc2ccccc2)c1Cl)-c1ccccn1
Show InChI InChI=1S/C18H16ClN3S/c1-13-16(19)18(23-12-10-14-7-3-2-4-8-14)22-17(21-13)15-9-5-6-11-20-15/h2-9,11H,10,12H2,1H3
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50435232
PNG
(CHEMBL2392768)
Show SMILES Cc1nc(nc(SCc2ccccc2)c1Cl)-c1ccccn1
Show InChI InChI=1S/C17H14ClN3S/c1-12-15(18)17(22-11-13-7-3-2-4-8-13)21-16(20-12)14-9-5-6-10-19-14/h2-10H,11H2,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50435231
PNG
(CHEMBL2392769)
Show SMILES CN(Cc1ccccc1)c1nc(nc(C)c1Cl)-c1ccccn1
Show InChI InChI=1S/C18H17ClN4/c1-13-16(19)18(23(2)12-14-8-4-3-5-9-14)22-17(21-13)15-10-6-7-11-20-15/h3-11H,12H2,1-2H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50435230
PNG
(CHEMBL2392770)
Show SMILES CNc1nc(nc(C)c1Cl)-c1ccccn1
Show InChI InChI=1S/C11H11ClN4/c1-7-9(12)11(13-2)16-10(15-7)8-5-3-4-6-14-8/h3-6H,1-2H3,(H,13,15,16)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM74255
PNG
((3-amino-2-methyl-phenyl)amine | 1,3-Benzenediamin...)
Show SMILES Cc1c(N)cccc1N
Show InChI InChI=1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of full length PI3Kalpha (unknown origin) assessed as reduction in PIP3 formation using PIP2 as substrate after 45 mins by fluorescence po...


Bioorg Med Chem 25: 1481-1486 (2017)


Article DOI: 10.1016/j.bmc.2017.01.012
BindingDB Entry DOI: 10.7270/Q2028TQP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50435224
PNG
(CHEMBL2392893)
Show SMILES Cc1nc(nc(NC[C@H](NC(=O)CCN2CCNCC2)c2ccccc2)c1Cl)-c1ccccn1 |r|
Show InChI InChI=1S/C25H30ClN7O/c1-18-23(26)25(32-24(30-18)20-9-5-6-11-28-20)29-17-21(19-7-3-2-4-8-19)31-22(34)10-14-33-15-12-27-13-16-33/h2-9,11,21,27H,10,12-17H2,1H3,(H,31,34)(H,29,30,32)/t21-/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM26188
PNG
(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
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n/an/a 3.30E+4n/an/an/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of full length PI3Kalpha (unknown origin) assessed as reduction in PIP3 formation using PIP2 as substrate after 45 mins by fluorescence po...


Bioorg Med Chem 25: 1481-1486 (2017)


Article DOI: 10.1016/j.bmc.2017.01.012
BindingDB Entry DOI: 10.7270/Q2028TQP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50435237
PNG
(CHEMBL2392764)
Show SMILES Cc1nc(nc(NCCc2ccccc2)c1F)-c1ccccn1
Show InChI InChI=1S/C18H17FN4/c1-13-16(19)18(21-12-10-14-7-3-2-4-8-14)23-17(22-13)15-9-5-6-11-20-15/h2-9,11H,10,12H2,1H3,(H,21,22,23)
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n/an/a 6.20E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50435217
PNG
(CHEMBL2392900)
Show SMILES Cc1nc(nc(NC[C@H](NS(=O)(=O)CCN2CCN(CCO)CC2)c2ccccc2)c1Cl)-c1ccccn1 |r|
Show InChI InChI=1S/C26H34ClN7O3S/c1-20-24(27)26(31-25(30-20)22-9-5-6-10-28-22)29-19-23(21-7-3-2-4-8-21)32-38(36,37)18-16-34-13-11-33(12-14-34)15-17-35/h2-10,23,32,35H,11-19H2,1H3,(H,29,30,31)/t23-/m0/s1
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n/an/a 9.50E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50435227
PNG
(CHEMBL2392772)
Show SMILES Cc1nc(nc(NC2CCN(CC2)c2ncc(cc2Cl)C(F)(F)F)c1Cl)-c1ccccn1
Show InChI InChI=1S/C21H19Cl2F3N6/c1-12-17(23)19(31-18(29-12)16-4-2-3-7-27-16)30-14-5-8-32(9-6-14)20-15(22)10-13(11-28-20)21(24,25)26/h2-4,7,10-11,14H,5-6,8-9H2,1H3,(H,29,30,31)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50435228
PNG
(CHEMBL460432)
Show SMILES Cc1nc(nc(N2CCN(CCO)CC2)c1Cl)-c1ccccn1
Show InChI InChI=1S/C16H20ClN5O/c1-12-14(17)16(22-8-6-21(7-9-22)10-11-23)20-15(19-12)13-4-2-3-5-18-13/h2-5,23H,6-11H2,1H3
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50433377
PNG
(CHEMBL2375628)
Show SMILES Cc1nc(nc(NCCNc2ccc(cn2)C(F)(F)F)c1Cl)-c1ccccn1
Show InChI InChI=1S/C18H16ClF3N6/c1-11-15(19)17(28-16(27-11)13-4-2-3-7-23-13)25-9-8-24-14-6-5-12(10-26-14)18(20,21)22/h2-7,10H,8-9H2,1H3,(H,24,26)(H,25,27,28)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50435229
PNG
(CHEMBL2392771)
Show SMILES Cc1nc(nc(NCCNc2cccc(n2)C(F)(F)F)c1Cl)-c1ccccn1
Show InChI InChI=1S/C18H16ClF3N6/c1-11-15(19)17(28-16(26-11)12-5-2-3-8-23-12)25-10-9-24-14-7-4-6-13(27-14)18(20,21)22/h2-8H,9-10H2,1H3,(H,24,27)(H,25,26,28)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50435232
PNG
(CHEMBL2392768)
Show SMILES Cc1nc(nc(SCc2ccccc2)c1Cl)-c1ccccn1
Show InChI InChI=1S/C17H14ClN3S/c1-12-15(18)17(22-11-13-7-3-2-4-8-13)21-16(20-12)14-9-5-6-10-19-14/h2-10H,11H2,1H3
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50435233
PNG
(CHEMBL2392767)
Show SMILES Cc1nc(nc(NCc2ccccc2)c1Cl)-c1cccnc1
Show InChI InChI=1S/C17H15ClN4/c1-12-15(18)17(20-10-13-6-3-2-4-7-13)22-16(21-12)14-8-5-9-19-11-14/h2-9,11H,10H2,1H3,(H,20,21,22)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50435234
PNG
(CHEMBL2392766)
Show SMILES Cc1nc(nc(SCCc2ccccc2)c1Cl)-c1ccccn1
Show InChI InChI=1S/C18H16ClN3S/c1-13-16(19)18(23-12-10-14-7-3-2-4-8-14)22-17(21-13)15-9-5-6-11-20-15/h2-9,11H,10,12H2,1H3
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50435235
PNG
(CHEMBL454036)
Show SMILES Cc1cc(NCCc2ccccc2)nc(n1)-c1ccccn1
Show InChI InChI=1S/C18H18N4/c1-14-13-17(20-12-10-15-7-3-2-4-8-15)22-18(21-14)16-9-5-6-11-19-16/h2-9,11,13H,10,12H2,1H3,(H,20,21,22)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50435236
PNG
(CHEMBL2392765)
Show SMILES Cc1nc(nc(NCCc2ccccc2)c1C)-c1ccccn1
Show InChI InChI=1S/C19H20N4/c1-14-15(2)22-19(17-10-6-7-12-20-17)23-18(14)21-13-11-16-8-4-3-5-9-16/h3-10,12H,11,13H2,1-2H3,(H,21,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50435233
PNG
(CHEMBL2392767)
Show SMILES Cc1nc(nc(NCc2ccccc2)c1Cl)-c1cccnc1
Show InChI InChI=1S/C17H15ClN4/c1-12-15(18)17(20-10-13-6-3-2-4-7-13)22-16(21-12)14-8-5-9-19-11-14/h2-9,11H,10H2,1H3,(H,20,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50435235
PNG
(CHEMBL454036)
Show SMILES Cc1cc(NCCc2ccccc2)nc(n1)-c1ccccn1
Show InChI InChI=1S/C18H18N4/c1-14-13-17(20-12-10-15-7-3-2-4-8-15)22-18(21-14)16-9-5-6-11-19-16/h2-9,11,13H,10,12H2,1H3,(H,20,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50435236
PNG
(CHEMBL2392765)
Show SMILES Cc1nc(nc(NCCc2ccccc2)c1C)-c1ccccn1
Show InChI InChI=1S/C19H20N4/c1-14-15(2)22-19(17-10-6-7-12-20-17)23-18(14)21-13-11-16-8-4-3-5-9-16/h3-10,12H,11,13H2,1-2H3,(H,21,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after ...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50435221
PNG
(CHEMBL2392896)
Show SMILES Cc1nc(nc(NC[C@H](NCCCN2CCN(CCO)CC2)c2ccccc2)c1Cl)-c1ccccn1 |r|
Show InChI InChI=1S/C27H36ClN7O/c1-21-25(28)27(33-26(32-21)23-10-5-6-11-29-23)31-20-24(22-8-3-2-4-9-22)30-12-7-13-34-14-16-35(17-15-34)18-19-36/h2-6,8-11,24,30,36H,7,12-20H2,1H3,(H,31,32,33)/t24-/m0/s1
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n/an/a 1.01E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50435222
PNG
(CHEMBL2392895)
Show SMILES Cc1nc(nc(NC[C@H](NCCCN2CCNCC2)c2ccccc2)c1Cl)-c1ccccn1 |r|
Show InChI InChI=1S/C25H32ClN7/c1-19-23(26)25(32-24(31-19)21-10-5-6-11-28-21)30-18-22(20-8-3-2-4-9-20)29-12-7-15-33-16-13-27-14-17-33/h2-6,8-11,22,27,29H,7,12-18H2,1H3,(H,30,31,32)/t22-/m0/s1
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n/an/a 1.08E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50435226
PNG
(CHEMBL2392891)
Show SMILES Cc1nc(nc(NC[C@H](NC(=O)CCN2CCN(CCO)CC2)c2ccccc2)c1Cl)-c1ccccn1 |r|
Show InChI InChI=1S/C27H34ClN7O2/c1-20-25(28)27(33-26(31-20)22-9-5-6-11-29-22)30-19-23(21-7-3-2-4-8-21)32-24(37)10-12-34-13-15-35(16-14-34)17-18-36/h2-9,11,23,36H,10,12-19H2,1H3,(H,32,37)(H,30,31,33)/t23-/m0/s1
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PubMed
n/an/a 1.14E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50435220
PNG
(CHEMBL2392897)
Show SMILES Cc1nc(nc(NC[C@H](NCCCCN2CCNCC2)c2ccccc2)c1Cl)-c1ccccn1 |r|
Show InChI InChI=1S/C26H34ClN7/c1-20-24(27)26(33-25(32-20)22-11-5-6-12-29-22)31-19-23(21-9-3-2-4-10-21)30-13-7-8-16-34-17-14-28-15-18-34/h2-6,9-12,23,28,30H,7-8,13-19H2,1H3,(H,31,32,33)/t23-/m0/s1
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n/an/a 1.88E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50435219
PNG
(CHEMBL2392898)
Show SMILES Cc1nc(nc(NC[C@H](NCCCCN2CCN(CCO)CC2)c2ccccc2)c1Cl)-c1ccccn1 |r|
Show InChI InChI=1S/C28H38ClN7O/c1-22-26(29)28(34-27(33-22)24-11-5-6-12-30-24)32-21-25(23-9-3-2-4-10-23)31-13-7-8-14-35-15-17-36(18-16-35)19-20-37/h2-6,9-12,25,31,37H,7-8,13-21H2,1H3,(H,32,33,34)/t25-/m0/s1
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n/an/a 1.97E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50435223
PNG
(CHEMBL2392894)
Show SMILES Cc1nc(nc(NC[C@H](NC(=O)CCCN2CCNCC2)c2ccccc2)c1Cl)-c1ccccn1 |r|
Show InChI InChI=1S/C26H32ClN7O/c1-19-24(27)26(33-25(31-19)21-10-5-6-12-29-21)30-18-22(20-8-3-2-4-9-20)32-23(35)11-7-15-34-16-13-28-14-17-34/h2-6,8-10,12,22,28H,7,11,13-18H2,1H3,(H,32,35)(H,30,31,33)/t22-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50435225
PNG
(CHEMBL2392892)
Show SMILES Cc1nc(nc(NC[C@H](NC(=O)CCCN2CCN(CCO)CC2)c2ccccc2)c1Cl)-c1ccccn1 |r|
Show InChI InChI=1S/C28H36ClN7O2/c1-21-26(29)28(34-27(32-21)23-10-5-6-12-30-23)31-20-24(22-8-3-2-4-9-22)33-25(38)11-7-13-35-14-16-36(17-15-35)18-19-37/h2-6,8-10,12,24,37H,7,11,13-20H2,1H3,(H,33,38)(H,31,32,34)/t24-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroani...


Bioorg Med Chem 21: 2600-17 (2013)


Article DOI: 10.1016/j.bmc.2013.02.023
BindingDB Entry DOI: 10.7270/Q290256X
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50433387
PNG
(CHEMBL2375616)
Show SMILES CCOC(=O)c1ccc(cc1)N1CCN(CC1)c1cc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C27H26N4O2/c1-2-33-27(32)20-10-12-21(13-11-20)30-15-17-31(18-16-30)26-19-25(24-9-5-6-14-28-24)29-23-8-4-3-7-22(23)26/h3-14,19H,2,15-18H2,1H3
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n/an/an/an/a 1.50E+4n/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human methionine aminopeptidase 1 in presence of Mn2+


J Med Chem 56: 3996-4016 (2013)


Article DOI: 10.1021/jm400227z
BindingDB Entry DOI: 10.7270/Q2SJ1N1Z
More data for this
Ligand-Target Pair
Methionine aminopeptidase 1


(Homo sapiens (Human))
BDBM50433388
PNG
(CHEMBL2375617)
Show SMILES OC(=O)c1ccc(cc1)N1CCN(CC1)c1cc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C25H22N4O2/c30-25(31)18-8-10-19(11-9-18)28-13-15-29(16-14-28)24-17-23(22-7-3-4-12-26-22)27-21-6-2-1-5-20(21)24/h1-12,17H,13-16H2,(H,30,31)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human methionine aminopeptidase 1 in presence of Mn2+


J Med Chem 56: 3996-4016 (2013)


Article DOI: 10.1021/jm400227z
BindingDB Entry DOI: 10.7270/Q2SJ1N1Z
More data for this
Ligand-Target Pair
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